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core::scoring::etable::etrie::EtableAtom Class Reference

#include <EtableAtom.hh>

Inheritance diagram for core::scoring::etable::etrie::EtableAtom:
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Public Types

typedef conformation::Atom parent
 

Public Member Functions

 EtableAtom ()
 
 EtableAtom (conformation::Residue const &res, Size atom_index)
 
 ~EtableAtom () override
 non-virtual destructor to keep EtableAtom small and lightweight as a virtual destructor would add a vtable to the class But I fear leaks... do I know how xyzVector dealloates its data? More...
 
int atom_type () const
 deprecated! More...
 
void atom_type (int setting)
 deprecated! More...
 
bool is_hydrogen () const
 property required by RotamerTrie class More...
 
void is_hydrogen (bool setting)
 setter method for data required by RotamerTrie class More...
 
bool is_wat () const
 
void is_wat (bool setting)
 checks if is water atom in hydrate/SPaDES protocol More...
 
void print () const
 send a description of the atom to standard out More...
 
void print (std::ostream &os) const
 send a description of the atom to an output stream More...
 
bool operator< (EtableAtom const &other) const
 compairison operator for sorting More...
 
bool operator== (EtableAtom const &other) const
 equality operator for shared-prefix detection More...
 
- Public Member Functions inherited from core::conformation::Atom
 Atom ()
 Default constructor. More...
 
 Atom (ShortSize const type_in, ShortSize const mm_type_in)
 constructor with an atom type number More...
 
 Atom (Vector const &xyz_in, ShortSize const type_in, ShortSize const mm_type_in)
 constructor with xyz and an atom type number More...
 
virtual ~Atom ()=default
 destructor More...
 
void show (std::ostream &output=std::cout) const
 Generate string representation of conformation::Atom for debugging purposes. More...
 
void type (ShortSize const type_in)
 set the atom type number More...
 
ShortSize type () const
 Returns the AtomType number. More...
 
void mm_type (ShortSize const mm_type_in)
 set the mm atom type number More...
 
ShortSize mm_type () const
 get the mm atom type number More...
 
Vector const & xyz () const
 Returns the atom coordinates as an xyzVector. More...
 
void xyz (Vector const &xyz_in)
 Sets the atom coordinates using an xyzVector. More...
 

Private Attributes

bool is_hydrogen_
 
bool is_wat_
 

Member Typedef Documentation

Constructor & Destructor Documentation

core::scoring::etable::etrie::EtableAtom::EtableAtom ( )
core::scoring::etable::etrie::EtableAtom::EtableAtom ( conformation::Residue const &  res,
Size  atom_index 
)
core::scoring::etable::etrie::EtableAtom::~EtableAtom ( )
overridedefault

non-virtual destructor to keep EtableAtom small and lightweight as a virtual destructor would add a vtable to the class But I fear leaks... do I know how xyzVector dealloates its data?

Member Function Documentation

int core::scoring::etable::etrie::EtableAtom::atom_type ( ) const
inline

deprecated!

References core::conformation::Atom::type().

void core::scoring::etable::etrie::EtableAtom::atom_type ( int  setting)
inline

deprecated!

References core::conformation::Atom::type().

bool core::scoring::etable::etrie::EtableAtom::is_hydrogen ( ) const
inline

property required by RotamerTrie class

References is_hydrogen_.

void core::scoring::etable::etrie::EtableAtom::is_hydrogen ( bool  setting)
inline

setter method for data required by RotamerTrie class

References is_hydrogen_.

bool core::scoring::etable::etrie::EtableAtom::is_wat ( ) const
inline

References is_wat_.

void core::scoring::etable::etrie::EtableAtom::is_wat ( bool  setting)
inline

checks if is water atom in hydrate/SPaDES protocol

References is_wat_.

bool core::scoring::etable::etrie::EtableAtom::operator< ( EtableAtom const &  other) const
inline

compairison operator for sorting

References core::conformation::Atom::type(), and core::conformation::Atom::xyz().

bool core::scoring::etable::etrie::EtableAtom::operator== ( EtableAtom const &  other) const
inline

equality operator for shared-prefix detection

References core::conformation::Atom::type(), and core::conformation::Atom::xyz().

void core::scoring::etable::etrie::EtableAtom::print ( ) const

send a description of the atom to standard out

send a description of the atom to standard out

Referenced by core::scoring::etable::etrie::operator<<().

void core::scoring::etable::etrie::EtableAtom::print ( std::ostream &  os) const

send a description of the atom to an output stream

References core::conformation::Atom::type(), and core::conformation::Atom::xyz().

Member Data Documentation

bool core::scoring::etable::etrie::EtableAtom::is_hydrogen_
private

Referenced by is_hydrogen().

bool core::scoring::etable::etrie::EtableAtom::is_wat_
private

Referenced by is_wat().


The documentation for this class was generated from the following files: